Remco W.A. Havenith : rechercher sur Z-Library

Journal of the American Chemical Society

Année:

2018

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2018

Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model

Zaykov, Alexandr, Felkel, Petr, Buchanan, Eric A., Jovanovic, Milena, Havenith, Remco W. A., Kathir, R K, Broer, Ria, Havlas, Zdeněk, Michl, Josef

Journal:

Année:

2019

Langue:

english

Fichier:

PDF, 7.57 MB

english, 2019

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes

Izquierdo, Maria A., Tarantelli, Francesco, Broer, Ria, Bistoni, Giovanni, Belpassi, Leonardo, Havenith, Remco W. A.

Journal:

European Journal of Inorganic Chemistry

Année:

2020

Langue:

english

Fichier:

PDF, 1.35 MB

english, 2020

Flash Vacuum Thermolysis of Acenaphtho[1,2-a]acenaphthylene, Fluoranthene, Benzo[k]- and Benzo[j]fluoranthene – Homolytic Scission of Carbon-Carbon Single Bonds of Internally Fused Cyclopenta Moieties at T ≥ 1100 °C

Martin Sarobe, Huibert C. Kwint, Theun Fleer, Remco W. A. Havenith, Leonardus W. Jenneskens, Edward J. Vlietstra, Joop H. van Lenthe, Jolanda Wesseling

Journal:

Albert W. Marsman, Remco W. A. Havenith, Sabine Bethke, Leonardus W. Jenneskens, Rolf Gleiter, Joop H. van Lenthe

Année:

1999

Langue:

english

Fichier:

PDF, 379 KB

english, 1999

Through-Bond Orbital Coupling in End-Functionalized Bicyclohexylidenes − Photoelectron Spectroscopy and Ab initio SCF−MO Calculations

Journal:

Erich Steiner, Patrick W. Fowler, Leonardus W. Jenneskens, Remco W. A. Havenith

Année:

2000

Langue:

english

Fichier:

PDF, 601 KB

english, 2000

Local and Global Paratropic and Diatropic Ring Currents in Pyrene and Its Cyclopenta-Fused Congeners

Journal:

Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens, Alessandro Soncini, Erich Steiner

Année:

2002

Langue:

english

Fichier:

PDF, 536 KB

english, 2002

Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation

Journal:

Angewandte Chemie

Année:

2002

Langue:

english

Fichier:

PDF, 131 KB

english, 2002

Ring Currents in a Proposed System Containing Planar Hexacoordinate Carbon, CB62−

Remco W. A. Havenith, Patrick W. Fowler, Erich Steiner

Journal:

Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens, Alessandro Soncini, Erich Steiner

Année:

2002

Langue:

english

Fichier:

PDF, 247 KB

english, 2002

Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation

Journal:

Angewandte Chemie International Edition

Année:

2002

Langue:

english

Fichier:

PDF, 130 KB

english, 2002

Perimeter Effects on Ring Currents in Polycyclic Aromatic Hydrocarbons: Circumcoronene and Two Hexabenzocoronenes

Alessandro Soncini, Erich Steiner, Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens

Journal:

Frank De Proft, Patrick W. Fowler, Remco W. A. Havenith, Paul von Ragué Schleyer, Gregory Van Lier, Paul Geerlings

Année:

2003

Langue:

english

Fichier:

PDF, 564 KB

english, 2003

Ring Currents as Probes of the Aromaticity of Inorganic Monocycles : P5−, As5−, S2N2, S3N3−, S4N3+, S4N42+, S5N5+, S42+ and Se42+

Journal:

Alessandro Soncini, Carmen Domene, Jeroen J. Engelberts, Patrick W. Fowler, André Rassat, Joop H. van Lenthe, Remco W. A. Havenith, Leonardus W. Jenneskens

Année:

2004

Langue:

english

Fichier:

PDF, 677 KB

english, 2004

A Unified Orbital Model of Delocalised and Localised Currents in Monocycles, from Annulenes to Azabora-heterocycles

Journal:

Michał K. Cyrański, Remco W. A. Havenith, Michał A. Dobrowolski, Benjamin R. Gray, Tadeusz M. Krygowski, Patrick W. Fowler, Leonardus W. Jenneskens

Année:

2005

Langue:

english

Fichier:

PDF, 255 KB

english, 2005

The Phenalenyl Motif: A Magnetic Chameleon

Journal:

Patrick W. Fowler, Noriyuki Mizoguchi, David E. Bean, Remco W. A. Havenith

Année:

2007

Langue:

english

Fichier:

PDF, 279 KB

english, 2007

Double Aromaticity and Ring Currents in All-Carbon Rings

Journal:

Martin Sarobe, Remco W. A. Havenith, Leonardus W. Jenneskens

Année:

2009

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2009

ChemInform Abstract: Triscyclopenta[cd,fg,jk]pyrene: Another Congener of the Externally Cyclopenta-Fused Pyrene Series.

Journal:

Albert W. Marsman, Remco W. A. Havenith, Sabine Bethke, Leonardus W. Jenneskens, Rolf Gleiter, Joop H. van Lenthe

Année:

1999

Fichier:

PDF, 33 KB

1999

ChemInform Abstract: Through-Bond Orbital Coupling in End-Functionalized Bicyclohexylidenes — Photoelectron Spectroscopy and ab initio SCF—MO Calculations.

Journal:

Remco W. A. Havenith, Jeroen J. Engelberts, Patrick W. Fowler, Erich Steiner, Joop H. van Lenthe, Paolo Lazzeretti

Année:

2001

Fichier:

PDF, 30 KB

2001

Localization and Reversal of Paratropic Ring Currents in Molecules with Formal Antiaromatic Electron Counts

Journal:

Frank De Proft, Patrick W. Fowler, Remco W. A. Havenith, Paul von Rague Schleyer, Gregory Van Lier, Paul Geerlings

Année:

2004

Fichier:

PDF, 57 KB

2004

Ring Currents as Probes of the Aromaticity of Inorganic Monocycles: P-5, As-5, S2N2, S3N-2, S4N+3, S4N2+4, S5N+5, S2+4 and Se2+4

Journal:

Wibren D. Oosterbaan, Paul C. M. van Gerven, Cornelis A. van Walree, Mattijs Koeberg, Jacob J. Piet, Remco W. A. Havenith, Jan W. Zwikker, Leonardus W. Jenneskens, Rolf Gleiter

Année:

2004

Fichier:

PDF, 54 KB

2004

Photoinduced Charge Separation in Cyclohexylidene-Based Donor−(σ-Bridge)−Acceptor Compounds − Building Blocks for Materials

Journal:

Cornelis A. van Walree, Bas C. van der Wiel, Leonardus W. Jenneskens, Martin Lutz, Anthony L. Spek, Remco W. A. Havenith, Joop H. van Lenthe

Année:

2003

Langue:

english

Fichier:

PDF, 243 KB

english, 2003

On the Structure of Cross-Conjugated 2,3-Diphenylbutadiene

Journal:

Remco W.A. Havenith, Frank De Proft, Patrick W. Fowler, Paul Geerlings

Année:

2007

Langue:

english

Fichier:

PDF, 147 KB

english, 2007

σ-Aromaticity in : Insights from ring-current maps

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 360 KB

english, 2005

Coupled valence bond theory

Remco W.A. Havenith

Journal:

Remco W.A. Havenith, Patrick W. Fowler

Année:

2005

Langue:

english

Fichier:

PDF, 142 KB

english, 2005

Ipsocentric ring currents in density functional theory

Journal:

Sipke H. Wadman, Erwin P.L. van der Geer, Remco W.A. Havenith, Robertus J.M. Klein Gebbink, Gerard P.M. van Klink, Gerard van Koten

Année:

2007

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2007

Comment on “Theoretical studies on the ground states in [M(terpyridine)2]2+ and [M(4-(4-(t-butyl)phenyl)terpyridine)2]2+ (M = Fe, Ru, Os) and excited states in [Ru(terpyridine)2]2+ using density functional theory”

Journal:

Journal of Organometallic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 181 KB

english, 2008

1H and 13C NMR assignments of the three dicyclopenta-fused pyrene congeners

María José Otero-Lobato, Cornelis A. van Walree, Remco W.A. Havenith, Leonardus W. Jenneskens, Patrick W. Fowler, Erich Steiner

Journal:

Tetrahedron

Année:

2006

Langue:

english

Fichier:

PDF, 344 KB

english, 2006

Evidence from current-density mapping for σ-delocalisation in the aromatic hexaiodobenzene cation

Remco W.A. Havenith, Patrick W. Fowler, Stijn Fias, Patrick Bultinck

Journal:

Tetrahedron Letters

Année:

2008

Langue:

english

Fichier:

PDF, 500 KB

english, 2008

Ab initio calculations on various sialic acids provide valuable information about sialic acid-specific enzymes

Joop H van Lenthe, Diet H.W den Boer, Remco W.A Havenith, Roland Schauer, Hans-Christian Siebert

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 292 KB

english, 2004

Orbital interactions expressed in resonance structures: An approach to compute stabilisation of cyclobutanediyl diradicals

Remco W.A. Havenith, Joop H. van Lenthe, Cornelis A. van Walree, Leonardus W. Jenneskens

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2006

Langue:

english

Fichier:

PDF, 253 KB

english, 2006

Ring currents that survive bond alternation in constrained 8π and 6π monocycles

Remco W.A Havenith, Leonardus W Jenneskens, Patrick W Fowler

Journal:

Remco W.A. Havenith, Patrick W. Fowler, Erich Steiner

Année:

2003

Langue:

english

Fichier:

PDF, 305 KB

english, 2003

Paratropic ring currents in cubane

Journal:

Remco W.A Havenith, Leonardus W Jenneskens, Joop H van Lenthe

Année:

2003

Langue:

english

Fichier:

PDF, 525 KB

english, 2003

The effect of syn–anti isomerism on the lowest valence transitions of 1,1′-bicyclohexylidene. An ab initio MRDCI investigation

Journal:

Elmo Wissing, Remco W.A. Havenith, Jaap Boersma, Gerard van Koten

Année:

1998

Langue:

english

Fichier:

PDF, 471 KB

english, 1998

Condensation reactions of α-amino-zincenamines with aldehydes; Application to indolizines

Journal:

Tetrahedron Letters

Année:

1992

Langue:

english

Fichier:

PDF, 236 KB

english, 1992

The structure and first 1H NMR spectral assignment of piperazine-C60 adducts

Craig P Butts, Remco W.A Havenith, Mikael Jazdzyk, Thomas Drewello, Sotirios Kotsiris

Journal:

Tetrahedron Letters

Année:

2003

Langue:

english

Fichier:

PDF, 94 KB

english, 2003

The excitation energies of 1,1′-bicyclohexylidene and 1,1′:4′,1″-tercyclohexylidene.: A comparison of multi-reference configuration interaction and perturbation theory approaches

Remco W.A. Havenith, Huub J.J. van Dam, Joop H. van Lenthe, Leonardus W. Jenneskens

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 91 KB

english, 1999

Valence bond descriptions of benzene and cyclobutadiene and their counterparts with localized bonds

Fokke Dijkstra, Joop H. Van Lenthe, Remco W. A. Havenith, Leonardus W. Jenneskens

Journal:

International Journal of Quantum Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 108 KB

english, 2003

Möbius aromaticity in small [n] trans-annulenes?

Remco W. A. Havenith, Joop H. van Lenthe, Leonardus W. Jenneskens

Journal:

International Journal of Quantum Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 419 KB

english, 2001

A comparison of approaches to estimate the resonance energy

Marcin Zielinski, Remco W. A. Havenith, Leonardus W. Jenneskens, Joop H. van Lenthe

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2010

Langue:

english

Fichier:

PDF, 196 KB

english, 2010

π-dimerization of pleiadiene radical cations at low temperatures revealed by UV–vis spectroelectrochemistry and quantum theory

Layo van het Goor, Piet Th. van Duijnen, Carola Koper, Leonardus W. Jenneskens, Remco W. A. Havenith, František Hartl

Journal:

Journal of Solid State Electrochemistry

Année:

2011

Langue:

english

Fichier:

PDF, 629 KB

english, 2011

A valence bond study of the σ and π aromatic species Al42−

Remco W.A. Havenith, Joop H. van Lenthe

Journal: